USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 166:sc= 0.373 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0.255 USER MOD Set 2.1: A 44 ASN : amide:sc= -7.2! C(o=-17!,f=-14!) USER MOD Set 2.2: A 46 GLN : amide:sc= -9.54! C(o=-17!,f=-7.8!) USER MOD Set 3.1: A 14 SER OG : rot 1:sc= 0.32 USER MOD Set 3.2: A 17 GLN : amide:sc= -2.39! C(o=-2.1!,f=-4.9!) USER MOD Single : A 3 LYS NZ :NH3+ -108:sc= 0.873 (180deg=-1.41) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= -2.68 (180deg=-4.51!) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= -0.325 (180deg=-1.1) USER MOD Single : A 8 TYR OH : rot 50:sc= -3.63! USER MOD Single : A 10 ASN : amide:sc= -1.48! C(o=-1.5!,f=-6!) USER MOD Single : A 11 TYR OH : rot 99:sc= 0.00203 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0288 K(o=-0.029,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.2) USER MOD Single : A 23 ASN : amide:sc= -10.1! C(o=-10!,f=-29!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= -3! (180deg=-5.66!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-3.1!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= -0.139 (180deg=-1.05) USER MOD Single : A 51 TYR OH : rot 158:sc= -1.74 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 71.169 -74.672 66.027 1.00 0.00 N ATOM 2 CA ASP A 2 70.487 -74.351 64.779 1.00 0.00 C ATOM 3 C ASP A 2 71.401 -74.618 63.586 1.00 0.00 C ATOM 4 O ASP A 2 71.592 -73.752 62.733 1.00 0.00 O ATOM 5 CB ASP A 2 70.061 -72.882 64.778 1.00 0.00 C ATOM 6 CG ASP A 2 68.950 -72.661 65.800 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.437 -73.645 66.310 1.00 0.00 O ATOM 8 OD2 ASP A 2 68.629 -71.514 66.057 1.00 0.00 O ATOM 0 HA ASP A 2 69.604 -74.985 64.696 1.00 0.00 H new ATOM 0 HB2 ASP A 2 70.915 -72.247 65.014 1.00 0.00 H new ATOM 0 HB3 ASP A 2 69.715 -72.596 63.785 1.00 0.00 H new ATOM 13 N LYS A 3 71.961 -75.822 63.535 1.00 0.00 N ATOM 14 CA LYS A 3 72.851 -76.193 62.441 1.00 0.00 C ATOM 15 C LYS A 3 72.087 -76.240 61.121 1.00 0.00 C ATOM 16 O LYS A 3 72.552 -75.722 60.105 1.00 0.00 O ATOM 17 CB LYS A 3 73.478 -77.560 62.718 1.00 0.00 C ATOM 18 CG LYS A 3 72.403 -78.523 63.222 1.00 0.00 C ATOM 19 CD LYS A 3 73.035 -79.883 63.525 1.00 0.00 C ATOM 20 CE LYS A 3 71.946 -80.871 63.946 1.00 0.00 C ATOM 21 NZ LYS A 3 70.982 -81.055 62.824 1.00 0.00 N ATOM 0 H LYS A 3 71.816 -76.552 64.232 1.00 0.00 H new ATOM 0 HA LYS A 3 73.637 -75.441 62.367 1.00 0.00 H new ATOM 0 HB2 LYS A 3 73.936 -77.952 61.810 1.00 0.00 H new ATOM 0 HB3 LYS A 3 74.272 -77.464 63.459 1.00 0.00 H new ATOM 0 HG2 LYS A 3 71.932 -78.121 64.119 1.00 0.00 H new ATOM 0 HG3 LYS A 3 71.619 -78.634 62.473 1.00 0.00 H new ATOM 0 HD2 LYS A 3 73.559 -80.256 62.645 1.00 0.00 H new ATOM 0 HD3 LYS A 3 73.776 -79.783 64.318 1.00 0.00 H new ATOM 0 HE2 LYS A 3 72.393 -81.828 64.216 1.00 0.00 H new ATOM 0 HE3 LYS A 3 71.426 -80.501 64.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 70.084 -80.586 63.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 71.375 -80.637 61.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 70.814 -82.070 62.674 1.00 0.00 H new ATOM 35 N CYS A 4 70.914 -76.863 61.144 1.00 0.00 N ATOM 36 CA CYS A 4 70.090 -76.965 59.945 1.00 0.00 C ATOM 37 C CYS A 4 68.984 -75.903 59.950 1.00 0.00 C ATOM 38 O CYS A 4 68.373 -75.627 58.918 1.00 0.00 O ATOM 39 CB CYS A 4 69.429 -78.344 59.882 1.00 0.00 C ATOM 40 SG CYS A 4 70.673 -79.624 60.182 1.00 0.00 S ATOM 0 H CYS A 4 70.514 -77.302 61.973 1.00 0.00 H new ATOM 0 HA CYS A 4 70.738 -76.813 59.082 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.635 -78.413 60.625 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.966 -78.493 58.906 1.00 0.00 H new ATOM 45 N LYS A 5 68.708 -75.346 61.125 1.00 0.00 N ATOM 46 CA LYS A 5 67.625 -74.380 61.266 1.00 0.00 C ATOM 47 C LYS A 5 68.108 -72.977 60.914 1.00 0.00 C ATOM 48 O LYS A 5 69.164 -72.541 61.372 1.00 0.00 O ATOM 49 CB LYS A 5 67.093 -74.396 62.700 1.00 0.00 C ATOM 50 CG LYS A 5 66.967 -75.842 63.182 1.00 0.00 C ATOM 51 CD LYS A 5 65.945 -76.582 62.317 1.00 0.00 C ATOM 52 CE LYS A 5 65.544 -77.889 63.003 1.00 0.00 C ATOM 53 NZ LYS A 5 64.536 -78.601 62.167 1.00 0.00 N ATOM 0 H LYS A 5 69.215 -75.545 61.987 1.00 0.00 H new ATOM 0 HA LYS A 5 66.825 -74.658 60.580 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.765 -73.841 63.354 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.123 -73.901 62.745 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.935 -76.340 63.127 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.657 -75.862 64.227 1.00 0.00 H new ATOM 0 HD2 LYS A 5 65.066 -75.957 62.160 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.368 -76.790 61.334 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.421 -78.519 63.149 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.132 -77.682 63.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.962 -79.224 62.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.919 -77.906 61.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.023 -79.170 61.446 1.00 0.00 H new ATOM 67 N LYS A 6 67.328 -72.274 60.100 1.00 0.00 N ATOM 68 CA LYS A 6 67.660 -70.901 59.735 1.00 0.00 C ATOM 69 C LYS A 6 66.445 -69.995 59.898 1.00 0.00 C ATOM 70 O LYS A 6 65.418 -70.194 59.250 1.00 0.00 O ATOM 71 CB LYS A 6 68.147 -70.848 58.287 1.00 0.00 C ATOM 72 CG LYS A 6 69.554 -71.443 58.197 1.00 0.00 C ATOM 73 CD LYS A 6 69.822 -71.909 56.764 1.00 0.00 C ATOM 74 CE LYS A 6 69.697 -70.720 55.809 1.00 0.00 C ATOM 75 NZ LYS A 6 70.427 -69.549 56.376 1.00 0.00 N ATOM 0 H LYS A 6 66.467 -72.629 59.683 1.00 0.00 H new ATOM 0 HA LYS A 6 68.452 -70.551 60.397 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.465 -71.402 57.643 1.00 0.00 H new ATOM 0 HB3 LYS A 6 68.154 -69.817 57.932 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.294 -70.700 58.493 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.650 -72.281 58.887 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.819 -72.344 56.692 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.113 -72.689 56.485 1.00 0.00 H new ATOM 0 HE2 LYS A 6 70.106 -70.979 54.833 1.00 0.00 H new ATOM 0 HE3 LYS A 6 68.647 -70.470 55.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.682 -68.894 55.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 69.818 -69.059 57.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 71.291 -69.876 56.853 1.00 0.00 H new ATOM 89 N VAL A 7 66.569 -68.996 60.767 1.00 0.00 N ATOM 90 CA VAL A 7 65.452 -68.102 61.052 1.00 0.00 C ATOM 91 C VAL A 7 65.259 -67.108 59.912 1.00 0.00 C ATOM 92 O VAL A 7 66.226 -66.559 59.384 1.00 0.00 O ATOM 93 CB VAL A 7 65.709 -67.344 62.356 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.514 -66.442 62.666 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.901 -68.345 63.497 1.00 0.00 C ATOM 0 H VAL A 7 67.424 -68.786 61.282 1.00 0.00 H new ATOM 0 HA VAL A 7 64.547 -68.701 61.154 1.00 0.00 H new ATOM 0 HB VAL A 7 66.606 -66.734 62.251 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.697 -65.902 63.595 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.376 -65.729 61.853 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.616 -67.051 62.771 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.084 -67.806 64.427 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.003 -68.954 63.602 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.753 -68.989 63.277 1.00 0.00 H new ATOM 105 N TYR A 8 64.004 -66.884 59.535 1.00 0.00 N ATOM 106 CA TYR A 8 63.694 -65.917 58.489 1.00 0.00 C ATOM 107 C TYR A 8 63.578 -64.512 59.073 1.00 0.00 C ATOM 108 O TYR A 8 62.846 -64.289 60.037 1.00 0.00 O ATOM 109 CB TYR A 8 62.381 -66.296 57.802 1.00 0.00 C ATOM 110 CG TYR A 8 62.677 -67.086 56.550 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.573 -68.160 56.596 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.056 -66.743 55.343 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.848 -68.892 55.435 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.331 -67.476 54.182 1.00 0.00 C ATOM 115 CZ TYR A 8 63.227 -68.550 54.228 1.00 0.00 C ATOM 116 OH TYR A 8 63.498 -69.272 53.083 1.00 0.00 O ATOM 0 H TYR A 8 63.192 -67.355 59.934 1.00 0.00 H new ATOM 0 HA TYR A 8 64.503 -65.928 57.759 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.761 -66.885 58.478 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.816 -65.398 57.553 1.00 0.00 H new ATOM 0 HD1 TYR A 8 64.052 -68.424 57.527 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.365 -65.914 55.307 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.539 -69.721 55.470 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.852 -67.212 53.251 1.00 0.00 H new ATOM 0 HH TYR A 8 63.401 -70.229 53.269 1.00 0.00 H new ATOM 126 N GLU A 9 64.305 -63.569 58.482 1.00 0.00 N ATOM 127 CA GLU A 9 64.271 -62.188 58.947 1.00 0.00 C ATOM 128 C GLU A 9 63.504 -61.309 57.964 1.00 0.00 C ATOM 129 O GLU A 9 63.730 -61.370 56.755 1.00 0.00 O ATOM 130 CB GLU A 9 65.696 -61.654 59.106 1.00 0.00 C ATOM 131 CG GLU A 9 66.438 -62.485 60.154 1.00 0.00 C ATOM 132 CD GLU A 9 66.856 -63.825 59.558 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.705 -63.990 58.359 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.321 -64.666 60.310 1.00 0.00 O ATOM 0 H GLU A 9 64.921 -63.735 57.686 1.00 0.00 H new ATOM 0 HA GLU A 9 63.764 -62.163 59.912 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.221 -61.699 58.152 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.672 -60.607 59.407 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.317 -61.943 60.504 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.798 -62.647 61.021 1.00 0.00 H new ATOM 141 N ASN A 10 62.596 -60.494 58.491 1.00 0.00 N ATOM 142 CA ASN A 10 61.816 -59.590 57.652 1.00 0.00 C ATOM 143 C ASN A 10 60.915 -60.379 56.708 1.00 0.00 C ATOM 144 O ASN A 10 61.112 -60.371 55.494 1.00 0.00 O ATOM 145 CB ASN A 10 62.752 -58.695 56.838 1.00 0.00 C ATOM 146 CG ASN A 10 63.893 -58.196 57.719 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.939 -58.503 58.910 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.823 -57.440 57.201 1.00 0.00 N ATOM 0 H ASN A 10 62.383 -60.440 59.487 1.00 0.00 H new ATOM 0 HA ASN A 10 61.193 -58.971 58.298 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.153 -59.250 55.990 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.198 -57.849 56.432 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.589 -57.103 57.784 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.783 -57.187 56.214 1.00 0.00 H new ATOM 155 N TYR A 11 59.924 -61.058 57.276 1.00 0.00 N ATOM 156 CA TYR A 11 58.976 -61.823 56.474 1.00 0.00 C ATOM 157 C TYR A 11 57.552 -61.600 56.970 1.00 0.00 C ATOM 158 O TYR A 11 57.291 -61.619 58.173 1.00 0.00 O ATOM 159 CB TYR A 11 59.316 -63.314 56.544 1.00 0.00 C ATOM 160 CG TYR A 11 60.246 -63.672 55.408 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.611 -63.380 55.503 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.741 -64.295 54.261 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.472 -63.712 54.450 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.603 -64.628 53.209 1.00 0.00 C ATOM 165 CZ TYR A 11 61.968 -64.335 53.304 1.00 0.00 C ATOM 166 OH TYR A 11 62.818 -64.663 52.266 1.00 0.00 O ATOM 0 H TYR A 11 59.757 -61.094 58.282 1.00 0.00 H new ATOM 0 HA TYR A 11 59.046 -61.483 55.441 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.786 -63.546 57.500 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.405 -63.909 56.484 1.00 0.00 H new ATOM 0 HD1 TYR A 11 62.000 -62.899 56.388 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.687 -64.519 54.187 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.526 -63.487 54.523 1.00 0.00 H new ATOM 0 HE2 TYR A 11 60.214 -65.111 52.325 1.00 0.00 H new ATOM 0 HH TYR A 11 63.056 -65.612 52.326 1.00 0.00 H new ATOM 176 N PRO A 12 56.636 -61.390 56.064 1.00 0.00 N ATOM 177 CA PRO A 12 55.202 -61.162 56.403 1.00 0.00 C ATOM 178 C PRO A 12 54.686 -62.167 57.429 1.00 0.00 C ATOM 179 O PRO A 12 54.763 -63.378 57.220 1.00 0.00 O ATOM 180 CB PRO A 12 54.483 -61.348 55.064 1.00 0.00 C ATOM 181 CG PRO A 12 55.499 -61.014 54.021 1.00 0.00 C ATOM 182 CD PRO A 12 56.871 -61.345 54.612 1.00 0.00 C ATOM 0 HA PRO A 12 55.040 -60.183 56.854 1.00 0.00 H new ATOM 0 HB2 PRO A 12 54.123 -62.371 54.949 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.614 -60.694 54.990 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.322 -61.589 53.112 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.440 -59.960 53.749 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.246 -62.298 54.239 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.610 -60.588 54.351 1.00 0.00 H new ATOM 190 N VAL A 13 54.162 -61.656 58.538 1.00 0.00 N ATOM 191 CA VAL A 13 53.628 -62.518 59.587 1.00 0.00 C ATOM 192 C VAL A 13 52.253 -63.048 59.197 1.00 0.00 C ATOM 193 O VAL A 13 51.961 -64.231 59.373 1.00 0.00 O ATOM 194 CB VAL A 13 53.523 -61.739 60.899 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.900 -61.197 61.285 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.549 -60.570 60.720 1.00 0.00 C ATOM 0 H VAL A 13 54.096 -60.657 58.733 1.00 0.00 H new ATOM 0 HA VAL A 13 54.306 -63.361 59.718 1.00 0.00 H new ATOM 0 HB VAL A 13 53.160 -62.401 61.685 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.824 -60.642 62.220 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.595 -62.027 61.411 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.264 -60.535 60.499 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.473 -60.014 61.654 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.914 -59.910 59.933 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.567 -60.954 60.445 1.00 0.00 H new ATOM 206 N SER A 14 51.413 -62.166 58.665 1.00 0.00 N ATOM 207 CA SER A 14 50.063 -62.553 58.269 1.00 0.00 C ATOM 208 C SER A 14 50.099 -63.804 57.396 1.00 0.00 C ATOM 209 O SER A 14 49.232 -64.672 57.502 1.00 0.00 O ATOM 210 CB SER A 14 49.397 -61.412 57.502 1.00 0.00 C ATOM 211 OG SER A 14 48.039 -61.747 57.247 1.00 0.00 O ATOM 0 H SER A 14 51.640 -61.186 58.499 1.00 0.00 H new ATOM 0 HA SER A 14 49.488 -62.769 59.169 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.454 -60.489 58.079 1.00 0.00 H new ATOM 0 HB3 SER A 14 49.922 -61.234 56.564 1.00 0.00 H new ATOM 0 HG SER A 14 47.841 -62.626 57.633 1.00 0.00 H new ATOM 217 N LYS A 15 51.106 -63.888 56.533 1.00 0.00 N ATOM 218 CA LYS A 15 51.249 -65.040 55.651 1.00 0.00 C ATOM 219 C LYS A 15 51.623 -66.283 56.451 1.00 0.00 C ATOM 220 O LYS A 15 51.245 -67.400 56.095 1.00 0.00 O ATOM 221 CB LYS A 15 52.326 -64.764 54.600 1.00 0.00 C ATOM 222 CG LYS A 15 51.885 -63.599 53.711 1.00 0.00 C ATOM 223 CD LYS A 15 52.840 -63.475 52.522 1.00 0.00 C ATOM 224 CE LYS A 15 52.504 -62.213 51.725 1.00 0.00 C ATOM 225 NZ LYS A 15 53.348 -62.161 50.498 1.00 0.00 N ATOM 0 H LYS A 15 51.830 -63.178 56.426 1.00 0.00 H new ATOM 0 HA LYS A 15 50.294 -65.214 55.155 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.272 -64.526 55.087 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.494 -65.654 53.994 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.867 -63.762 53.358 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.879 -62.672 54.284 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.871 -63.432 52.873 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.757 -64.354 51.883 1.00 0.00 H new ATOM 0 HE2 LYS A 15 51.448 -62.212 51.453 1.00 0.00 H new ATOM 0 HE3 LYS A 15 52.677 -61.327 52.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 53.120 -61.303 49.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 54.352 -62.143 50.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 53.162 -63.000 49.913 1.00 0.00 H new ATOM 239 N CYS A 16 52.367 -66.082 57.534 1.00 0.00 N ATOM 240 CA CYS A 16 52.788 -67.195 58.376 1.00 0.00 C ATOM 241 C CYS A 16 51.597 -67.776 59.132 1.00 0.00 C ATOM 242 O CYS A 16 51.721 -68.787 59.822 1.00 0.00 O ATOM 243 CB CYS A 16 53.848 -66.723 59.374 1.00 0.00 C ATOM 244 SG CYS A 16 55.472 -67.336 58.864 1.00 0.00 S ATOM 0 H CYS A 16 52.689 -65.166 57.847 1.00 0.00 H new ATOM 0 HA CYS A 16 53.211 -67.970 57.737 1.00 0.00 H new ATOM 0 HB2 CYS A 16 53.857 -65.634 59.423 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.608 -67.085 60.374 1.00 0.00 H new ATOM 249 N GLN A 17 50.444 -67.128 58.995 1.00 0.00 N ATOM 250 CA GLN A 17 49.238 -67.586 59.675 1.00 0.00 C ATOM 251 C GLN A 17 48.844 -68.977 59.187 1.00 0.00 C ATOM 252 O GLN A 17 47.946 -69.609 59.743 1.00 0.00 O ATOM 253 CB GLN A 17 48.090 -66.608 59.416 1.00 0.00 C ATOM 254 CG GLN A 17 47.619 -66.745 57.968 1.00 0.00 C ATOM 255 CD GLN A 17 46.757 -65.546 57.585 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.975 -64.440 58.079 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.785 -65.701 56.729 1.00 0.00 N ATOM 0 H GLN A 17 50.320 -66.292 58.425 1.00 0.00 H new ATOM 0 HA GLN A 17 49.441 -67.633 60.745 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.265 -66.811 60.099 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.418 -65.586 59.607 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.479 -66.813 57.302 1.00 0.00 H new ATOM 0 HG3 GLN A 17 47.049 -67.666 57.848 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.606 -66.619 56.321 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.204 -64.905 56.468 1.00 0.00 H new ATOM 266 N LEU A 18 49.522 -69.446 58.146 1.00 0.00 N ATOM 267 CA LEU A 18 49.252 -70.774 57.606 1.00 0.00 C ATOM 268 C LEU A 18 50.537 -71.592 57.527 1.00 0.00 C ATOM 269 O LEU A 18 51.357 -71.394 56.631 1.00 0.00 O ATOM 270 CB LEU A 18 48.635 -70.653 56.210 1.00 0.00 C ATOM 271 CG LEU A 18 47.130 -70.414 56.337 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.630 -69.645 55.113 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.407 -71.760 56.423 1.00 0.00 C ATOM 0 H LEU A 18 50.257 -68.931 57.662 1.00 0.00 H new ATOM 0 HA LEU A 18 48.553 -71.281 58.271 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.100 -69.831 55.665 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.823 -71.561 55.638 1.00 0.00 H new ATOM 0 HG LEU A 18 46.929 -69.834 57.237 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.557 -69.475 55.204 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.146 -68.687 55.050 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.830 -70.225 54.212 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.334 -71.591 56.514 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.609 -72.339 55.522 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.763 -72.309 57.295 1.00 0.00 H new ATOM 285 N ALA A 19 50.705 -72.512 58.472 1.00 0.00 N ATOM 286 CA ALA A 19 51.894 -73.356 58.500 1.00 0.00 C ATOM 287 C ALA A 19 52.222 -73.867 57.101 1.00 0.00 C ATOM 288 O ALA A 19 53.312 -74.387 56.860 1.00 0.00 O ATOM 289 CB ALA A 19 51.669 -74.542 59.439 1.00 0.00 C ATOM 0 H ALA A 19 50.038 -72.691 59.223 1.00 0.00 H new ATOM 0 HA ALA A 19 52.732 -72.760 58.862 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.561 -75.168 59.455 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.465 -74.176 60.445 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.820 -75.129 59.087 1.00 0.00 H new ATOM 295 N ASN A 20 51.273 -73.718 56.184 1.00 0.00 N ATOM 296 CA ASN A 20 51.478 -74.160 54.808 1.00 0.00 C ATOM 297 C ASN A 20 52.218 -73.093 54.007 1.00 0.00 C ATOM 298 O ASN A 20 53.050 -73.409 53.156 1.00 0.00 O ATOM 299 CB ASN A 20 50.129 -74.453 54.147 1.00 0.00 C ATOM 300 CG ASN A 20 49.547 -75.747 54.702 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.255 -76.523 55.345 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.290 -76.031 54.491 1.00 0.00 N ATOM 0 H ASN A 20 50.361 -73.298 56.365 1.00 0.00 H new ATOM 0 HA ASN A 20 52.080 -75.069 54.824 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.440 -73.628 54.327 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.254 -74.534 53.067 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.894 -76.896 54.859 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.704 -75.388 53.958 1.00 0.00 H new ATOM 309 N GLN A 21 51.908 -71.831 54.283 1.00 0.00 N ATOM 310 CA GLN A 21 52.558 -70.725 53.587 1.00 0.00 C ATOM 311 C GLN A 21 53.987 -70.543 54.087 1.00 0.00 C ATOM 312 O GLN A 21 54.920 -70.412 53.295 1.00 0.00 O ATOM 313 CB GLN A 21 51.769 -69.434 53.811 1.00 0.00 C ATOM 314 CG GLN A 21 50.471 -69.480 53.003 1.00 0.00 C ATOM 315 CD GLN A 21 50.781 -69.382 51.512 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.357 -68.392 51.061 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.433 -70.357 50.718 1.00 0.00 N ATOM 0 H GLN A 21 51.217 -71.549 54.978 1.00 0.00 H new ATOM 0 HA GLN A 21 52.585 -70.955 52.522 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.545 -69.312 54.871 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.367 -68.574 53.510 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.936 -70.406 53.211 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.818 -68.660 53.302 1.00 0.00 H new ATOM 0 HE21 GLN A 21 49.956 -71.176 51.095 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.638 -70.300 49.720 1.00 0.00 H new ATOM 326 N CYS A 22 54.151 -70.535 55.406 1.00 0.00 N ATOM 327 CA CYS A 22 55.471 -70.353 56.001 1.00 0.00 C ATOM 328 C CYS A 22 56.465 -71.355 55.424 1.00 0.00 C ATOM 329 O CYS A 22 57.485 -70.972 54.850 1.00 0.00 O ATOM 330 CB CYS A 22 55.386 -70.531 57.518 1.00 0.00 C ATOM 331 SG CYS A 22 57.052 -70.489 58.224 1.00 0.00 S ATOM 0 H CYS A 22 53.393 -70.651 56.079 1.00 0.00 H new ATOM 0 HA CYS A 22 55.817 -69.345 55.770 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.775 -69.741 57.954 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.902 -71.478 57.757 1.00 0.00 H new ATOM 336 N ASN A 23 56.163 -72.640 55.580 1.00 0.00 N ATOM 337 CA ASN A 23 57.053 -73.689 55.098 1.00 0.00 C ATOM 338 C ASN A 23 57.268 -73.564 53.593 1.00 0.00 C ATOM 339 O ASN A 23 58.394 -73.671 53.107 1.00 0.00 O ATOM 340 CB ASN A 23 56.461 -75.063 55.419 1.00 0.00 C ATOM 341 CG ASN A 23 55.028 -75.146 54.906 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.337 -74.130 54.825 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.537 -76.302 54.554 1.00 0.00 N ATOM 0 H ASN A 23 55.314 -72.978 56.034 1.00 0.00 H new ATOM 0 HA ASN A 23 58.015 -73.581 55.599 1.00 0.00 H new ATOM 0 HB2 ASN A 23 57.066 -75.845 54.960 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.481 -75.234 56.495 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.579 -76.366 54.211 1.00 0.00 H new ATOM 0 HD22 ASN A 23 55.111 -77.142 54.622 1.00 0.00 H new ATOM 350 N TYR A 24 56.182 -73.339 52.862 1.00 0.00 N ATOM 351 CA TYR A 24 56.265 -73.193 51.413 1.00 0.00 C ATOM 352 C TYR A 24 57.190 -72.038 51.041 1.00 0.00 C ATOM 353 O TYR A 24 58.151 -72.217 50.291 1.00 0.00 O ATOM 354 CB TYR A 24 54.872 -72.939 50.834 1.00 0.00 C ATOM 355 CG TYR A 24 54.243 -74.253 50.438 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.084 -75.267 51.391 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.819 -74.457 49.119 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.501 -76.486 51.023 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.236 -75.676 48.753 1.00 0.00 C ATOM 360 CZ TYR A 24 53.077 -76.690 49.705 1.00 0.00 C ATOM 361 OH TYR A 24 52.502 -77.892 49.343 1.00 0.00 O ATOM 0 H TYR A 24 55.240 -73.254 53.245 1.00 0.00 H new ATOM 0 HA TYR A 24 56.670 -74.116 50.997 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.248 -72.432 51.570 1.00 0.00 H new ATOM 0 HB3 TYR A 24 54.941 -72.281 49.968 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.411 -75.109 52.408 1.00 0.00 H new ATOM 0 HD2 TYR A 24 53.942 -73.675 48.385 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.379 -77.269 51.757 1.00 0.00 H new ATOM 0 HE2 TYR A 24 52.909 -75.834 47.736 1.00 0.00 H new ATOM 0 HH TYR A 24 52.264 -77.868 48.393 1.00 0.00 H new ATOM 371 N ASP A 25 56.896 -70.855 51.570 1.00 0.00 N ATOM 372 CA ASP A 25 57.703 -69.676 51.279 1.00 0.00 C ATOM 373 C ASP A 25 59.170 -69.931 51.611 1.00 0.00 C ATOM 374 O ASP A 25 60.064 -69.533 50.863 1.00 0.00 O ATOM 375 CB ASP A 25 57.195 -68.483 52.090 1.00 0.00 C ATOM 376 CG ASP A 25 55.801 -68.087 51.619 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.407 -68.536 50.555 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.147 -67.338 52.327 1.00 0.00 O ATOM 0 H ASP A 25 56.110 -70.688 52.198 1.00 0.00 H new ATOM 0 HA ASP A 25 57.618 -69.456 50.215 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.171 -68.737 53.150 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.878 -67.641 51.980 1.00 0.00 H new ATOM 383 N CYS A 26 59.410 -70.595 52.735 1.00 0.00 N ATOM 384 CA CYS A 26 60.774 -70.894 53.158 1.00 0.00 C ATOM 385 C CYS A 26 61.525 -71.644 52.062 1.00 0.00 C ATOM 386 O CYS A 26 62.639 -71.272 51.692 1.00 0.00 O ATOM 387 CB CYS A 26 60.753 -71.738 54.434 1.00 0.00 C ATOM 388 SG CYS A 26 62.098 -71.213 55.526 1.00 0.00 S ATOM 0 H CYS A 26 58.685 -70.935 53.366 1.00 0.00 H new ATOM 0 HA CYS A 26 61.287 -69.952 53.354 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.794 -71.627 54.941 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.862 -72.794 54.186 1.00 0.00 H new ATOM 393 N LYS A 27 60.909 -72.703 51.548 1.00 0.00 N ATOM 394 CA LYS A 27 61.533 -73.505 50.502 1.00 0.00 C ATOM 395 C LYS A 27 61.716 -72.682 49.230 1.00 0.00 C ATOM 396 O LYS A 27 62.819 -72.594 48.690 1.00 0.00 O ATOM 397 CB LYS A 27 60.670 -74.731 50.198 1.00 0.00 C ATOM 398 CG LYS A 27 60.438 -75.524 51.486 1.00 0.00 C ATOM 399 CD LYS A 27 59.307 -76.529 51.271 1.00 0.00 C ATOM 400 CE LYS A 27 59.653 -77.445 50.094 1.00 0.00 C ATOM 401 NZ LYS A 27 59.341 -76.746 48.814 1.00 0.00 N ATOM 0 H LYS A 27 59.985 -73.024 51.836 1.00 0.00 H new ATOM 0 HA LYS A 27 62.512 -73.828 50.856 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.716 -74.421 49.773 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.161 -75.359 49.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.351 -76.045 51.774 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.186 -74.847 52.302 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.156 -77.121 52.174 1.00 0.00 H new ATOM 0 HD3 LYS A 27 58.372 -76.004 51.074 1.00 0.00 H new ATOM 0 HE2 LYS A 27 60.709 -77.714 50.126 1.00 0.00 H new ATOM 0 HE3 LYS A 27 59.085 -78.373 50.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 58.904 -77.417 48.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 58.682 -75.962 48.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 60.218 -76.371 48.400 1.00 0.00 H new ATOM 415 N LEU A 28 60.629 -72.082 48.757 1.00 0.00 N ATOM 416 CA LEU A 28 60.675 -71.295 47.531 1.00 0.00 C ATOM 417 C LEU A 28 61.726 -70.194 47.637 1.00 0.00 C ATOM 418 O LEU A 28 62.288 -69.761 46.630 1.00 0.00 O ATOM 419 CB LEU A 28 59.305 -70.672 47.257 1.00 0.00 C ATOM 420 CG LEU A 28 58.260 -71.779 47.112 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.867 -71.156 47.009 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.551 -72.588 45.846 1.00 0.00 C ATOM 0 H LEU A 28 59.711 -72.125 49.201 1.00 0.00 H new ATOM 0 HA LEU A 28 60.943 -71.958 46.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.029 -70.002 48.071 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.342 -70.071 46.348 1.00 0.00 H new ATOM 0 HG LEU A 28 58.301 -72.434 47.982 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.122 -71.945 46.906 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.660 -70.577 47.909 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.825 -70.501 46.139 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.807 -73.378 45.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.509 -71.931 44.977 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.544 -73.032 45.918 1.00 0.00 H new ATOM 434 N ASP A 29 61.985 -69.745 48.860 1.00 0.00 N ATOM 435 CA ASP A 29 62.933 -68.660 49.078 1.00 0.00 C ATOM 436 C ASP A 29 64.341 -69.210 49.287 1.00 0.00 C ATOM 437 O ASP A 29 65.272 -68.844 48.572 1.00 0.00 O ATOM 438 CB ASP A 29 62.517 -67.840 50.302 1.00 0.00 C ATOM 439 CG ASP A 29 61.172 -67.170 50.047 1.00 0.00 C ATOM 440 OD1 ASP A 29 60.895 -66.858 48.900 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.436 -66.979 51.002 1.00 0.00 O ATOM 0 H ASP A 29 61.555 -70.112 49.709 1.00 0.00 H new ATOM 0 HA ASP A 29 62.933 -68.021 48.195 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.451 -68.486 51.177 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.273 -67.086 50.519 1.00 0.00 H new ATOM 446 N LYS A 30 64.486 -70.091 50.272 1.00 0.00 N ATOM 447 CA LYS A 30 65.798 -70.626 50.617 1.00 0.00 C ATOM 448 C LYS A 30 65.940 -72.062 50.121 1.00 0.00 C ATOM 449 O LYS A 30 67.051 -72.569 49.973 1.00 0.00 O ATOM 450 CB LYS A 30 65.995 -70.585 52.134 1.00 0.00 C ATOM 451 CG LYS A 30 66.035 -69.129 52.605 1.00 0.00 C ATOM 452 CD LYS A 30 67.467 -68.601 52.513 1.00 0.00 C ATOM 453 CE LYS A 30 67.534 -67.197 53.117 1.00 0.00 C ATOM 454 NZ LYS A 30 68.957 -66.827 53.358 1.00 0.00 N ATOM 0 H LYS A 30 63.718 -70.447 50.841 1.00 0.00 H new ATOM 0 HA LYS A 30 66.559 -70.012 50.135 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.184 -71.117 52.631 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.921 -71.091 52.405 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.371 -68.519 51.992 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.675 -69.058 53.632 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.147 -69.269 53.042 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.791 -68.576 51.472 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.069 -66.477 52.443 1.00 0.00 H new ATOM 0 HE3 LYS A 30 66.975 -67.165 54.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 69.003 -65.873 53.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.386 -67.508 54.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.477 -66.842 52.457 1.00 0.00 H new ATOM 468 N HIS A 31 64.808 -72.709 49.869 1.00 0.00 N ATOM 469 CA HIS A 31 64.819 -74.083 49.378 1.00 0.00 C ATOM 470 C HIS A 31 65.188 -75.050 50.499 1.00 0.00 C ATOM 471 O HIS A 31 66.080 -75.883 50.344 1.00 0.00 O ATOM 472 CB HIS A 31 65.824 -74.221 48.233 1.00 0.00 C ATOM 473 CG HIS A 31 65.855 -72.945 47.438 1.00 0.00 C ATOM 474 ND1 HIS A 31 67.013 -72.199 47.284 1.00 0.00 N ATOM 475 CD2 HIS A 31 64.880 -72.271 46.745 1.00 0.00 C ATOM 476 CE1 HIS A 31 66.708 -71.130 46.526 1.00 0.00 C ATOM 477 NE2 HIS A 31 65.421 -71.124 46.171 1.00 0.00 N ATOM 0 H HIS A 31 63.878 -72.309 49.995 1.00 0.00 H new ATOM 0 HA HIS A 31 63.820 -74.327 49.016 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.816 -74.439 48.629 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.547 -75.056 47.590 1.00 0.00 H new ATOM 0 HD2 HIS A 31 63.850 -72.583 46.658 1.00 0.00 H new ATOM 0 HE1 HIS A 31 67.418 -70.369 46.239 1.00 0.00 H new ATOM 0 HE2 HIS A 31 64.938 -70.429 45.602 1.00 0.00 H new ATOM 485 N ALA A 32 64.495 -74.933 51.627 1.00 0.00 N ATOM 486 CA ALA A 32 64.732 -75.828 52.753 1.00 0.00 C ATOM 487 C ALA A 32 63.808 -77.039 52.678 1.00 0.00 C ATOM 488 O ALA A 32 63.194 -77.299 51.644 1.00 0.00 O ATOM 489 CB ALA A 32 64.495 -75.085 54.070 1.00 0.00 C ATOM 0 H ALA A 32 63.770 -74.233 51.785 1.00 0.00 H new ATOM 0 HA ALA A 32 65.766 -76.170 52.709 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.674 -75.761 54.906 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.176 -74.237 54.137 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.466 -74.728 54.106 1.00 0.00 H new ATOM 495 N ARG A 33 63.716 -77.777 53.779 1.00 0.00 N ATOM 496 CA ARG A 33 62.841 -78.942 53.835 1.00 0.00 C ATOM 497 C ARG A 33 61.404 -78.521 54.126 1.00 0.00 C ATOM 498 O ARG A 33 60.483 -78.870 53.388 1.00 0.00 O ATOM 499 CB ARG A 33 63.322 -79.905 54.921 1.00 0.00 C ATOM 500 CG ARG A 33 64.835 -80.099 54.800 1.00 0.00 C ATOM 501 CD ARG A 33 65.126 -81.228 53.810 1.00 0.00 C ATOM 502 NE ARG A 33 66.485 -81.105 53.291 1.00 0.00 N ATOM 503 CZ ARG A 33 66.859 -81.742 52.187 1.00 0.00 C ATOM 504 NH1 ARG A 33 66.005 -82.493 51.546 1.00 0.00 N ATOM 505 NH2 ARG A 33 68.079 -81.618 51.742 1.00 0.00 N ATOM 0 H ARG A 33 64.232 -77.591 54.639 1.00 0.00 H new ATOM 0 HA ARG A 33 62.872 -79.442 52.867 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.073 -79.512 55.907 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.813 -80.864 54.823 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.305 -79.175 54.463 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.261 -80.337 55.775 1.00 0.00 H new ATOM 0 HD2 ARG A 33 65.002 -82.193 54.301 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.411 -81.195 52.988 1.00 0.00 H new ATOM 0 HE ARG A 33 67.159 -80.520 53.785 1.00 0.00 H new ATOM 0 HH11 ARG A 33 65.051 -82.591 51.893 1.00 0.00 H new ATOM 0 HH12 ARG A 33 66.292 -82.982 50.698 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.747 -81.031 52.242 1.00 0.00 H new ATOM 0 HH22 ARG A 33 68.365 -82.108 50.894 1.00 0.00 H new ATOM 519 N SER A 34 61.220 -77.769 55.207 1.00 0.00 N ATOM 520 CA SER A 34 59.894 -77.275 55.564 1.00 0.00 C ATOM 521 C SER A 34 59.928 -75.769 55.803 1.00 0.00 C ATOM 522 O SER A 34 59.508 -74.986 54.952 1.00 0.00 O ATOM 523 CB SER A 34 59.396 -77.983 56.824 1.00 0.00 C ATOM 524 OG SER A 34 59.127 -79.346 56.521 1.00 0.00 O ATOM 0 H SER A 34 61.965 -77.490 55.846 1.00 0.00 H new ATOM 0 HA SER A 34 59.215 -77.484 54.737 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.144 -77.915 57.613 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.495 -77.496 57.196 1.00 0.00 H new ATOM 0 HG SER A 34 59.030 -79.853 57.354 1.00 0.00 H new ATOM 530 N GLY A 35 60.431 -75.371 56.968 1.00 0.00 N ATOM 531 CA GLY A 35 60.561 -73.955 57.288 1.00 0.00 C ATOM 532 C GLY A 35 59.266 -73.408 57.876 1.00 0.00 C ATOM 533 O GLY A 35 58.711 -72.429 57.377 1.00 0.00 O ATOM 0 H GLY A 35 60.753 -76.004 57.700 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.376 -73.812 57.998 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.820 -73.397 56.388 1.00 0.00 H new ATOM 537 N GLU A 36 58.787 -74.047 58.938 1.00 0.00 N ATOM 538 CA GLU A 36 57.564 -73.606 59.599 1.00 0.00 C ATOM 539 C GLU A 36 57.805 -72.307 60.362 1.00 0.00 C ATOM 540 O GLU A 36 58.948 -71.929 60.619 1.00 0.00 O ATOM 541 CB GLU A 36 57.075 -74.685 60.566 1.00 0.00 C ATOM 542 CG GLU A 36 56.699 -75.943 59.780 1.00 0.00 C ATOM 543 CD GLU A 36 55.472 -75.672 58.917 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.806 -74.679 59.163 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.214 -76.462 58.023 1.00 0.00 O ATOM 0 H GLU A 36 59.224 -74.868 59.358 1.00 0.00 H new ATOM 0 HA GLU A 36 56.805 -73.430 58.837 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.854 -74.917 61.293 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.213 -74.322 61.126 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.534 -76.252 59.152 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.496 -76.764 60.468 1.00 0.00 H new ATOM 552 N CYS A 37 56.720 -71.629 60.724 1.00 0.00 N ATOM 553 CA CYS A 37 56.826 -70.357 61.429 1.00 0.00 C ATOM 554 C CYS A 37 56.860 -70.581 62.937 1.00 0.00 C ATOM 555 O CYS A 37 56.262 -71.529 63.446 1.00 0.00 O ATOM 556 CB CYS A 37 55.679 -69.379 61.084 1.00 0.00 C ATOM 557 SG CYS A 37 56.398 -67.790 60.601 1.00 0.00 S ATOM 0 H CYS A 37 55.765 -71.936 60.542 1.00 0.00 H new ATOM 0 HA CYS A 37 57.759 -69.902 61.097 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.071 -69.781 60.274 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.021 -69.250 61.943 1.00 0.00 H new ATOM 562 N PHE A 38 57.563 -69.705 63.646 1.00 0.00 N ATOM 563 CA PHE A 38 57.662 -69.815 65.096 1.00 0.00 C ATOM 564 C PHE A 38 57.445 -68.456 65.755 1.00 0.00 C ATOM 565 O PHE A 38 57.628 -67.414 65.125 1.00 0.00 O ATOM 566 CB PHE A 38 59.038 -70.359 65.486 1.00 0.00 C ATOM 567 CG PHE A 38 59.139 -71.809 65.080 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.331 -72.147 63.735 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.042 -72.816 66.047 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.424 -73.493 63.357 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.136 -74.161 65.670 1.00 0.00 C ATOM 572 CZ PHE A 38 59.327 -74.499 64.325 1.00 0.00 C ATOM 0 H PHE A 38 58.069 -68.916 63.244 1.00 0.00 H new ATOM 0 HA PHE A 38 56.888 -70.501 65.442 1.00 0.00 H new ATOM 0 HB2 PHE A 38 59.822 -69.779 64.999 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.189 -70.260 66.561 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.407 -71.370 62.989 1.00 0.00 H new ATOM 0 HD2 PHE A 38 58.895 -72.555 67.085 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.570 -73.754 62.319 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.061 -74.938 66.417 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.400 -75.537 64.034 1.00 0.00 H new ATOM 582 N TYR A 39 57.053 -68.476 67.025 1.00 0.00 N ATOM 583 CA TYR A 39 56.796 -67.239 67.753 1.00 0.00 C ATOM 584 C TYR A 39 58.029 -66.819 68.549 1.00 0.00 C ATOM 585 O TYR A 39 58.413 -67.483 69.511 1.00 0.00 O ATOM 586 CB TYR A 39 55.613 -67.431 68.704 1.00 0.00 C ATOM 587 CG TYR A 39 54.337 -67.544 67.905 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.157 -68.616 67.024 1.00 0.00 C ATOM 589 CD2 TYR A 39 53.334 -66.577 68.046 1.00 0.00 C ATOM 590 CE1 TYR A 39 52.973 -68.723 66.283 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.152 -66.683 67.305 1.00 0.00 C ATOM 592 CZ TYR A 39 51.970 -67.756 66.423 1.00 0.00 C ATOM 593 OH TYR A 39 50.804 -67.860 65.694 1.00 0.00 O ATOM 0 H TYR A 39 56.907 -69.327 67.567 1.00 0.00 H new ATOM 0 HA TYR A 39 56.560 -66.456 67.032 1.00 0.00 H new ATOM 0 HB2 TYR A 39 55.758 -68.328 69.306 1.00 0.00 H new ATOM 0 HB3 TYR A 39 55.548 -66.591 69.395 1.00 0.00 H new ATOM 0 HD1 TYR A 39 54.931 -69.361 66.915 1.00 0.00 H new ATOM 0 HD2 TYR A 39 53.473 -65.750 68.726 1.00 0.00 H new ATOM 0 HE1 TYR A 39 52.834 -69.551 65.604 1.00 0.00 H new ATOM 0 HE2 TYR A 39 51.379 -65.937 67.413 1.00 0.00 H new ATOM 0 HH TYR A 39 50.214 -67.108 65.911 1.00 0.00 H new ATOM 603 N ASP A 40 58.643 -65.714 68.139 1.00 0.00 N ATOM 604 CA ASP A 40 59.825 -65.208 68.829 1.00 0.00 C ATOM 605 C ASP A 40 59.428 -64.192 69.895 1.00 0.00 C ATOM 606 O ASP A 40 58.279 -64.158 70.337 1.00 0.00 O ATOM 607 CB ASP A 40 60.775 -64.553 67.826 1.00 0.00 C ATOM 608 CG ASP A 40 61.350 -65.609 66.886 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.070 -66.777 67.098 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.061 -65.233 65.969 1.00 0.00 O ATOM 0 H ASP A 40 58.345 -65.155 67.339 1.00 0.00 H new ATOM 0 HA ASP A 40 60.328 -66.046 69.311 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.244 -63.794 67.252 1.00 0.00 H new ATOM 0 HB3 ASP A 40 61.582 -64.046 68.355 1.00 0.00 H new ATOM 615 N GLU A 41 60.385 -63.365 70.303 1.00 0.00 N ATOM 616 CA GLU A 41 60.125 -62.351 71.317 1.00 0.00 C ATOM 617 C GLU A 41 59.243 -61.241 70.752 1.00 0.00 C ATOM 618 O GLU A 41 58.350 -60.738 71.433 1.00 0.00 O ATOM 619 CB GLU A 41 61.444 -61.755 71.812 1.00 0.00 C ATOM 620 CG GLU A 41 62.275 -62.845 72.491 1.00 0.00 C ATOM 621 CD GLU A 41 62.881 -63.769 71.441 1.00 0.00 C ATOM 622 OE1 GLU A 41 62.941 -63.367 70.291 1.00 0.00 O ATOM 623 OE2 GLU A 41 63.277 -64.865 71.802 1.00 0.00 O ATOM 0 H GLU A 41 61.342 -63.377 69.949 1.00 0.00 H new ATOM 0 HA GLU A 41 59.605 -62.824 72.150 1.00 0.00 H new ATOM 0 HB2 GLU A 41 61.998 -61.328 70.976 1.00 0.00 H new ATOM 0 HB3 GLU A 41 61.248 -60.943 72.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 63.066 -62.392 73.088 1.00 0.00 H new ATOM 0 HG3 GLU A 41 61.649 -63.419 73.174 1.00 0.00 H new ATOM 630 N LYS A 42 59.502 -60.865 69.504 1.00 0.00 N ATOM 631 CA LYS A 42 58.723 -59.815 68.857 1.00 0.00 C ATOM 632 C LYS A 42 57.320 -60.315 68.527 1.00 0.00 C ATOM 633 O LYS A 42 56.526 -59.602 67.913 1.00 0.00 O ATOM 634 CB LYS A 42 59.422 -59.364 67.572 1.00 0.00 C ATOM 635 CG LYS A 42 60.775 -58.740 67.920 1.00 0.00 C ATOM 636 CD LYS A 42 61.433 -58.209 66.645 1.00 0.00 C ATOM 637 CE LYS A 42 62.852 -57.732 66.964 1.00 0.00 C ATOM 638 NZ LYS A 42 63.641 -58.865 67.526 1.00 0.00 N ATOM 0 H LYS A 42 60.239 -61.267 68.924 1.00 0.00 H new ATOM 0 HA LYS A 42 58.643 -58.972 69.543 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.562 -60.214 66.904 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.802 -58.641 67.042 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.641 -57.930 68.637 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.419 -59.481 68.393 1.00 0.00 H new ATOM 0 HD2 LYS A 42 61.463 -58.990 65.886 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.845 -57.388 66.235 1.00 0.00 H new ATOM 0 HE2 LYS A 42 63.331 -57.353 66.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 62.819 -56.908 67.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 64.652 -58.711 67.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 63.484 -58.922 68.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.338 -59.754 67.080 1.00 0.00 H new ATOM 652 N ARG A 43 57.022 -61.542 68.938 1.00 0.00 N ATOM 653 CA ARG A 43 55.710 -62.126 68.684 1.00 0.00 C ATOM 654 C ARG A 43 55.415 -62.149 67.188 1.00 0.00 C ATOM 655 O ARG A 43 54.266 -62.307 66.774 1.00 0.00 O ATOM 656 CB ARG A 43 54.631 -61.316 69.406 1.00 0.00 C ATOM 657 CG ARG A 43 54.953 -61.254 70.900 1.00 0.00 C ATOM 658 CD ARG A 43 54.218 -60.071 71.532 1.00 0.00 C ATOM 659 NE ARG A 43 54.612 -58.827 70.881 1.00 0.00 N ATOM 660 CZ ARG A 43 54.350 -57.648 71.437 1.00 0.00 C ATOM 661 NH1 ARG A 43 53.730 -57.590 72.584 1.00 0.00 N ATOM 662 NH2 ARG A 43 54.712 -56.549 70.835 1.00 0.00 N ATOM 0 H ARG A 43 57.666 -62.149 69.445 1.00 0.00 H new ATOM 0 HA ARG A 43 55.709 -63.150 69.059 1.00 0.00 H new ATOM 0 HB2 ARG A 43 54.580 -60.309 68.992 1.00 0.00 H new ATOM 0 HB3 ARG A 43 53.654 -61.774 69.253 1.00 0.00 H new ATOM 0 HG2 ARG A 43 54.654 -62.183 71.386 1.00 0.00 H new ATOM 0 HG3 ARG A 43 56.028 -61.149 71.047 1.00 0.00 H new ATOM 0 HD2 ARG A 43 53.141 -60.212 71.441 1.00 0.00 H new ATOM 0 HD3 ARG A 43 54.444 -60.020 72.597 1.00 0.00 H new ATOM 0 HE ARG A 43 55.097 -58.862 69.984 1.00 0.00 H new ATOM 0 HH11 ARG A 43 53.446 -58.449 73.054 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.529 -56.685 73.010 1.00 0.00 H new ATOM 0 HH21 ARG A 43 55.196 -56.594 69.938 1.00 0.00 H new ATOM 0 HH22 ARG A 43 54.511 -55.644 71.261 1.00 0.00 H new ATOM 676 N ASN A 44 56.459 -61.992 66.381 1.00 0.00 N ATOM 677 CA ASN A 44 56.300 -62.001 64.932 1.00 0.00 C ATOM 678 C ASN A 44 56.666 -63.367 64.361 1.00 0.00 C ATOM 679 O ASN A 44 57.824 -63.782 64.412 1.00 0.00 O ATOM 680 CB ASN A 44 57.190 -60.928 64.301 1.00 0.00 C ATOM 681 CG ASN A 44 58.652 -61.356 64.371 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.090 -61.909 65.380 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.436 -61.132 63.353 1.00 0.00 N ATOM 0 H ASN A 44 57.418 -61.858 66.703 1.00 0.00 H new ATOM 0 HA ASN A 44 55.256 -61.790 64.700 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.899 -60.767 63.263 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.055 -59.980 64.821 1.00 0.00 H new ATOM 0 HD21 ASN A 44 60.415 -61.415 63.391 1.00 0.00 H new ATOM 0 HD22 ASN A 44 59.070 -60.674 62.519 1.00 0.00 H new ATOM 690 N LEU A 45 55.672 -64.062 63.817 1.00 0.00 N ATOM 691 CA LEU A 45 55.902 -65.379 63.235 1.00 0.00 C ATOM 692 C LEU A 45 57.115 -65.352 62.310 1.00 0.00 C ATOM 693 O LEU A 45 57.178 -64.553 61.376 1.00 0.00 O ATOM 694 CB LEU A 45 54.669 -65.826 62.448 1.00 0.00 C ATOM 695 CG LEU A 45 53.407 -65.304 63.136 1.00 0.00 C ATOM 696 CD1 LEU A 45 52.171 -65.834 62.407 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.384 -65.784 64.589 1.00 0.00 C ATOM 0 H LEU A 45 54.706 -63.738 63.767 1.00 0.00 H new ATOM 0 HA LEU A 45 56.091 -66.084 64.044 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.721 -65.450 61.426 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.639 -66.914 62.386 1.00 0.00 H new ATOM 0 HG LEU A 45 53.405 -64.214 63.111 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.272 -65.462 62.898 1.00 0.00 H new ATOM 0 HD12 LEU A 45 52.186 -65.495 61.371 1.00 0.00 H new ATOM 0 HD13 LEU A 45 52.173 -66.924 62.432 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.485 -65.413 65.081 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.386 -66.874 64.612 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.264 -65.408 65.110 1.00 0.00 H new ATOM 709 N GLN A 46 58.077 -66.230 62.579 1.00 0.00 N ATOM 710 CA GLN A 46 59.277 -66.307 61.755 1.00 0.00 C ATOM 711 C GLN A 46 59.462 -67.719 61.208 1.00 0.00 C ATOM 712 O GLN A 46 59.393 -68.697 61.952 1.00 0.00 O ATOM 713 CB GLN A 46 60.504 -65.914 62.582 1.00 0.00 C ATOM 714 CG GLN A 46 60.180 -64.674 63.418 1.00 0.00 C ATOM 715 CD GLN A 46 61.466 -63.939 63.780 1.00 0.00 C ATOM 716 OE1 GLN A 46 62.558 -64.488 63.633 1.00 0.00 O ATOM 717 NE2 GLN A 46 61.402 -62.722 64.248 1.00 0.00 N ATOM 0 H GLN A 46 58.049 -66.892 63.354 1.00 0.00 H new ATOM 0 HA GLN A 46 59.166 -65.617 60.919 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.796 -66.738 63.233 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.349 -65.712 61.924 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.518 -64.012 62.860 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.650 -64.965 64.325 1.00 0.00 H new ATOM 0 HE21 GLN A 46 60.496 -62.269 64.369 1.00 0.00 H new ATOM 0 HE22 GLN A 46 62.258 -62.224 64.493 1.00 0.00 H new ATOM 726 N CYS A 47 59.696 -67.816 59.904 1.00 0.00 N ATOM 727 CA CYS A 47 59.896 -69.113 59.268 1.00 0.00 C ATOM 728 C CYS A 47 61.309 -69.626 59.529 1.00 0.00 C ATOM 729 O CYS A 47 62.291 -68.976 59.171 1.00 0.00 O ATOM 730 CB CYS A 47 59.655 -69.020 57.759 1.00 0.00 C ATOM 731 SG CYS A 47 57.885 -68.831 57.427 1.00 0.00 S ATOM 0 H CYS A 47 59.752 -67.018 59.271 1.00 0.00 H new ATOM 0 HA CYS A 47 59.178 -69.811 59.698 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.204 -68.173 57.346 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.033 -69.916 57.266 1.00 0.00 H new ATOM 736 N ILE A 48 61.405 -70.795 60.154 1.00 0.00 N ATOM 737 CA ILE A 48 62.703 -71.380 60.465 1.00 0.00 C ATOM 738 C ILE A 48 63.047 -72.481 59.466 1.00 0.00 C ATOM 739 O ILE A 48 62.725 -73.650 59.681 1.00 0.00 O ATOM 740 CB ILE A 48 62.689 -71.960 61.880 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.436 -70.837 62.888 1.00 0.00 C ATOM 742 CG2 ILE A 48 64.040 -72.614 62.177 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.403 -71.418 64.303 1.00 0.00 C ATOM 0 H ILE A 48 60.605 -71.352 60.453 1.00 0.00 H new ATOM 0 HA ILE A 48 63.458 -70.597 60.401 1.00 0.00 H new ATOM 0 HB ILE A 48 61.898 -72.706 61.959 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.219 -70.082 62.812 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.492 -70.340 62.665 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.030 -73.027 63.186 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.223 -73.413 61.459 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.831 -71.868 62.098 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.223 -70.618 65.021 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.604 -72.156 64.375 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.358 -71.894 64.523 1.00 0.00 H new ATOM 755 N CYS A 49 63.704 -72.100 58.376 1.00 0.00 N ATOM 756 CA CYS A 49 64.089 -73.065 57.352 1.00 0.00 C ATOM 757 C CYS A 49 65.013 -74.127 57.938 1.00 0.00 C ATOM 758 O CYS A 49 66.111 -73.820 58.402 1.00 0.00 O ATOM 759 CB CYS A 49 64.816 -72.346 56.215 1.00 0.00 C ATOM 760 SG CYS A 49 63.731 -72.139 54.782 1.00 0.00 S ATOM 0 H CYS A 49 63.979 -71.138 58.179 1.00 0.00 H new ATOM 0 HA CYS A 49 63.187 -73.545 56.974 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.161 -71.371 56.558 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.701 -72.914 55.927 1.00 0.00 H new ATOM 765 N ASP A 50 64.563 -75.376 57.912 1.00 0.00 N ATOM 766 CA ASP A 50 65.360 -76.477 58.440 1.00 0.00 C ATOM 767 C ASP A 50 65.939 -77.313 57.303 1.00 0.00 C ATOM 768 O ASP A 50 65.201 -77.936 56.540 1.00 0.00 O ATOM 769 CB ASP A 50 64.498 -77.363 59.340 1.00 0.00 C ATOM 770 CG ASP A 50 63.373 -77.995 58.526 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.605 -78.293 57.366 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.298 -78.171 59.075 1.00 0.00 O ATOM 0 H ASP A 50 63.657 -75.651 57.534 1.00 0.00 H new ATOM 0 HA ASP A 50 66.181 -76.059 59.023 1.00 0.00 H new ATOM 0 HB2 ASP A 50 65.112 -78.141 59.793 1.00 0.00 H new ATOM 0 HB3 ASP A 50 64.081 -76.771 60.155 1.00 0.00 H new ATOM 777 N TYR A 51 67.264 -77.321 57.197 1.00 0.00 N ATOM 778 CA TYR A 51 67.933 -78.115 56.173 1.00 0.00 C ATOM 779 C TYR A 51 68.375 -79.460 56.741 1.00 0.00 C ATOM 780 O TYR A 51 69.564 -79.778 56.754 1.00 0.00 O ATOM 781 CB TYR A 51 69.151 -77.360 55.641 1.00 0.00 C ATOM 782 CG TYR A 51 68.695 -76.258 54.713 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.314 -75.017 55.235 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.653 -76.479 53.332 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.890 -73.996 54.377 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.230 -75.458 52.472 1.00 0.00 C ATOM 787 CZ TYR A 51 67.849 -74.216 52.994 1.00 0.00 C ATOM 788 OH TYR A 51 67.431 -73.210 52.147 1.00 0.00 O ATOM 0 H TYR A 51 67.891 -76.791 57.802 1.00 0.00 H new ATOM 0 HA TYR A 51 67.230 -78.291 55.359 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.722 -76.940 56.469 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.814 -78.045 55.112 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.347 -74.847 56.301 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.947 -77.437 52.929 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.595 -73.039 54.781 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.198 -75.629 51.406 1.00 0.00 H new ATOM 0 HH TYR A 51 67.778 -73.376 51.246 1.00 0.00 H new ATOM 798 N CYS A 52 67.410 -80.247 57.207 1.00 0.00 N ATOM 799 CA CYS A 52 67.716 -81.541 57.806 1.00 0.00 C ATOM 800 C CYS A 52 66.442 -82.358 57.998 1.00 0.00 C ATOM 801 O CYS A 52 65.360 -81.946 57.577 1.00 0.00 O ATOM 802 CB CYS A 52 68.404 -81.341 59.157 1.00 0.00 C ATOM 803 SG CYS A 52 70.180 -81.105 58.901 1.00 0.00 S ATOM 0 H CYS A 52 66.417 -80.014 57.182 1.00 0.00 H new ATOM 0 HA CYS A 52 68.383 -82.082 57.135 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.981 -80.476 59.668 1.00 0.00 H new ATOM 0 HB3 CYS A 52 68.230 -82.206 59.797 1.00 0.00 H new ATOM 808 N GLU A 53 66.578 -83.517 58.634 1.00 0.00 N ATOM 809 CA GLU A 53 65.430 -84.385 58.874 1.00 0.00 C ATOM 810 C GLU A 53 64.926 -84.222 60.304 1.00 0.00 C ATOM 811 O GLU A 53 65.214 -85.046 61.171 1.00 0.00 O ATOM 812 CB GLU A 53 65.820 -85.843 58.631 1.00 0.00 C ATOM 813 CG GLU A 53 66.282 -86.015 57.183 1.00 0.00 C ATOM 814 CD GLU A 53 65.122 -85.745 56.230 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.989 -85.799 56.678 1.00 0.00 O ATOM 816 OE2 GLU A 53 65.385 -85.490 55.066 1.00 0.00 O ATOM 0 H GLU A 53 67.464 -83.875 58.990 1.00 0.00 H new ATOM 0 HA GLU A 53 64.633 -84.103 58.186 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.617 -86.136 59.315 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.971 -86.496 58.833 1.00 0.00 H new ATOM 0 HG2 GLU A 53 67.104 -85.331 56.971 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.661 -87.026 57.031 1.00 0.00 H new ATOM 823 N TYR A 54 64.171 -83.154 60.542 1.00 0.00 N ATOM 824 CA TYR A 54 63.622 -82.900 61.868 1.00 0.00 C ATOM 825 C TYR A 54 62.549 -83.928 62.211 1.00 0.00 C ATOM 826 CB TYR A 54 63.021 -81.494 61.924 1.00 0.00 C ATOM 827 CG TYR A 54 61.775 -81.446 61.072 1.00 0.00 C ATOM 828 CD1 TYR A 54 61.865 -81.100 59.718 1.00 0.00 C ATOM 829 CD2 TYR A 54 60.528 -81.744 61.637 1.00 0.00 C ATOM 830 CE1 TYR A 54 60.710 -81.055 58.929 1.00 0.00 C ATOM 831 CE2 TYR A 54 59.373 -81.698 60.847 1.00 0.00 C ATOM 832 CZ TYR A 54 59.464 -81.354 59.493 1.00 0.00 C ATOM 833 OH TYR A 54 58.326 -81.309 58.715 1.00 0.00 O ATOM 0 H TYR A 54 63.927 -82.456 59.840 1.00 0.00 H new ATOM 0 HA TYR A 54 64.430 -82.979 62.596 1.00 0.00 H new ATOM 0 HB2 TYR A 54 62.781 -81.230 62.954 1.00 0.00 H new ATOM 0 HB3 TYR A 54 63.746 -80.762 61.568 1.00 0.00 H new ATOM 0 HD1 TYR A 54 62.826 -80.868 59.283 1.00 0.00 H new ATOM 0 HD2 TYR A 54 60.458 -82.009 62.682 1.00 0.00 H new ATOM 0 HE1 TYR A 54 60.780 -80.789 57.884 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.412 -81.928 61.282 1.00 0.00 H new ATOM 0 HH TYR A 54 57.547 -81.545 59.261 1.00 0.00 H new TER 843 TYR A 54